1-[(E)-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol

C10H16OS — CID 5369083

IUPAC1-[(E)-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol
SMILESCS/C=C/CC1(O)C=CCCC1
InChIInChI=1S/C10H16OS/c1-12-9-5-8-10(11)6-3-2-4-7-10/h3,5-6,9,11H,2,4,7-8H2,1H3/b9-5+
InChIKeyLFMNJEPETFPETI-WEVVVXLNSA-N
MW184.30 g/mol
LogP2.72
Rot. Bonds3

About 1-[(E)-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol

1-[(E)-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol (PubChem CID 5369083) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 1-[(E)-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-[(E)-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol
PubChem CID5369083
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name1-[(E)-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol
SMILESCS/C=C/CC1(O)C=CCCC1
InChIInChI=1S/C10H16OS/c1-12-9-5-8-10(11)6-3-2-4-7-10/h3,5-6,9,11H,2,4,7-8H2,1H3/b9-5+
InChIKeyLFMNJEPETFPETI-WEVVVXLNSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol?
The IUPAC name of 1-[(E)-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol (CID 5369083) is 1-[(E)-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol.
What is the SMILES notation for 1-[(E)-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol?
The canonical SMILES for 1-[(E)-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol is CS/C=C/CC1(O)C=CCCC1.
What is the InChIKey of 1-[(E)-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol?
The InChIKey is LFMNJEPETFPETI-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H16OS/c1-12-9-5-8-10(11)6-3-2-4-7-10/h3,5-6,9,11H,2,4,7-8H2,1H3/b9-5+.
What are the key properties of 1-[(E)-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol?
1-[(E)-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol has a molecular weight of 184.30 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 5369083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).